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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Hydrothermal solubility of Dy hydroxide as a function of pH and stability of Dy hydroxyl aqueous complexes from 25 to 250 °C

The rare earth elements (REE) have important applications in green energy technologies. The formation of mineral deposits in geologic systems commonly involves hydrothermal fluids which can mobilize the REE. However, the REE speciation is not well known as a function of pH. The thermodynamic properties of REE hydroxyl complexes used in geochemical models are based on the Helgeson-Kirkham-Flowers (HKF) equation of state parameters which were derived by extrapolation of low temperature experimental and estimated data. In this study, Dy hydroxide solubility experiments are combined with available literature data to improve these models from 25 to 250 °C and optimize the thermodynamic properties of Dy 3+ and Dy hydroxyl complexes using GEMSFITS. Batch-type solubility experiments were conducted from 150 to 250 °C and at saturated water vapor pressure in perchloric acid solutions with initial pH values of 2 to 5 in 0.5 pH unit increments. The measured solubility of Dy hydroxide is retrograde with temperature and decreases with pH. The logarithm of total dissolved Dy molality ranges from –2.3 to –5.3 at 150 °C (pH 4.7–5.5), from –2.4 to –5.6 at 200 °C (pH 3.9–5.1), and from –3.7 to –6.9 at 250 °C (pH of 3.4 and 5.0). The optimized standard partial molal Gibbs energies of formation (Δ f G° T ) derived for Dy 3+ and DyOH 2+ display a close to linear relationship with temperature, fitting with previous optimizations based on DyPO 4 solubility data in the literature. A comparison of the optimized ΔfG°T values for aqueous Dy species with predictions from available HKF parameters indicates significant differences ranging from +11 to –26 kJ/mol between 25 and 250 °C. The experimental fits are used to derive the Dy hydroxide solubility products (K s0 ) and formation constants for the hydrolysis of Dy (β n with n = 1 to 3; Dy 3+ + nOH – = DyOH n 3-n ) as a function of temperature. The optimization method presented yields accurate thermodynamic properties for the Dy 3+ aqua ions and the DyOH 2+ species at the acidic to mildly acidic pH studied whereas more experimental work is needed at near-neutral and alkaline conditions to better constrain the other hydroxyl complexes. Furthermore, the optimized thermodynamic data have a significant impact on geochemical modeling of the mobility and solubility of REE minerals in acidic hydrothermal fluids.

58 GEOSCIENCES↗
NASA NTRS2005

Experimental Studies of Phase Equilibria of Meteorites and Planetary Bodies

The primary theme of this project was the application of experimental petrology and geochemistry to a variety of problems in meteoritics and planetary geology. The studies were designed to help develop constraints on the histories of primitive meteorites and their components, the environments in which they formed and evolved, and to understand quantitatively the processes involved in the evolution of igneous rocks on the earth and other planetary bodies. We undertook several projects relating to the origin of CAIs and chondrules. Systematics in the thermodynamic properties of CAI-like liquids were investigated and used to elucidate speciation of multi-valent cations and sulfide capacity of silicate melts and to constrain redox conditions and the vapor pressures of volatile species over molten chondrules. We experimentally determined vanadium speciation in meteoritic pyroxenes and in pyroxenes crystallized from CAI-like melts under very reducing conditions. We also found that bulk oxygen isotope compositions of chondrules in the moderately unequilibrated LL chondrites are related to the relative timing of plagioclase crystallization. We completed an experimental study on the vaporization of beta-SiC and SiO2 (glass or cristobalite) in reducing gases and established the conditions under which these presolar grains could have survived in the solar nebula. We expanded our technique for determining the thermodynamic properties of minerals and liquids to iron-bearing systems. We determined activity-composition relationships in Pt-Fe, Pt-Cr and Pt-Fe-Cr alloys. Results were used to determine the thermodynamic properties of chromite-picrochromite spinels including the free energy of formation of end-member FeCr2O4. We also established a new approach for evaluating Pt-Fe saturation experiments. We calculated the T-fO2 relationships in equilibrated ordinary chondrites and thereby constrained the conditions of metamorphism in their parent bodies.

Stolper, Edward M.↗
NASA NTRS1993

Thermophysical properties of simple liquid metals: A brief review of theory

In this paper, we review the current theory of the thermophysical properties of simple liquid metals. The emphasis is on thermodynamic properties, but we also briefly discuss the nonequilibrium properties of liquid metals. We begin by defining a 'simple liquid metal' as one in which the valence electrons interact only weakly with the ionic cores, so that the interaction can be treated by perturbation theory. We then write down the equilibrium Hamiltonian of a liquid metal as a sum of five terms: the bare ion-ion interaction, the electron-electron interaction, the bare electron-ion interaction, and the kinetic energies of electrons and ions. Since the electron-ion interaction can be treated by perturbation, the electronic part contributes in two ways to the Helmholtz free energy: it gives a density-dependent term which is independent of the arrangement of ions, and it acts to screen the ion-ion interaction, giving rise to effective ion-ion pair potentials which are density-dependent, in general. After sketching the form of a typical pair potential, we briefly enumerate some methods for calculating the ionic distribution function and hence the Helmholtz free energy of the liquid: monte Carlo simulations, molecular dynamics simulations, and thermodynamic perturbation theory. The final result is a general expression for the Helmholtz free energy of the liquid metal. It can be used to calculate a wide range of thermodynamic properties of simple metal liquids, which we enumerate. They include not only a range of thermodynamic coefficients of both metals and alloys, but also many aspects of the phase diagram, including freezing curves of pure elements and phase diagrams of liquid alloys (including liquidus and solidus curves). We briefly mention some key discoveries resulting from previous applications of this method, and point out that the same methods work for other materials not normally considered to be liquid metals (such as colloidal suspensions, in which the suspended microspheres behave like ions screened by the salt solution in which they are suspended). We conclude with a brief discussion of some non-equilibrium (i.e., transport) properties which can be treated by an extension of these methods. These include electrical resistivity, thermal conductivity, viscosity, atomic self-diffusion coefficients, concentration diffusion coefficients in alloys, surface tension and thermal emissivity. Finally, we briefly mention two methods by which the theory might be extended to non-simple liquid metals: these are empirical techniques (i.e., empirical two- and three-body potentials), and numerical many-body approaches. Both may be potentially applicable to extremely complex systems, such as nonstoichiometric liquid semiconductor alloys.

Stroud, David↗
NASA NTRS1970

A program for computing shock-tube gas dynamic properties

Computer program calculates thermodynamic properties from basic spectroscopic data. Program capacity is a mixture of 100 different species composed of ten different elements. The output is a complete thermodynamic and chemical description of the gas.

Horton, T. E.↗
NASA NTRS1990

FIRE Science Results 1988

FIRE (First ISCCP Regional Experiment) is a U.S. cloud-radiation program that seeks to address the issues of a basic understanding and parameterizations of cirrus and marine stratocumulus cloud systems and ISCCP data products. The papers describe research analysis of data collected at the 1986 Cirrus Intensive Field Observations (IFO), the 1987 Marine Stratocumulus IFO, and the Extended Time Observations. The papers are grouped into sessions on satellite studies, lidar/radiative properties/microphysical studies, radiative properties, thermodynamic and dynamic properties, case studies, and large scale environment and modeling studies.

Mcdougal, David S.↗
NASA NTRS1975

Input guide for computer programs to generate thermodynamic data for air and Freon CF4

FORTRAN computer programs were developed to calculate the thermodynamic properties of Freon 14 and air for isentropic expansion from given plenum conditions. Thermodynamic properties for air are calculated with equations derived from the Beattie-Bridgeman nonstandard equation of state and, for Freon 14, with equations derived from the Redlich-Quang nonstandard equation of state. These two gases are used in scale model testing of model rocket nozzle flow fields which requires simulation of the prototype plume shape with a cold flow test approach. Utility of the computer programs for use in analytical prediction of flow fields is enhanced by arranging card or tape output of the data in a format compatible with a method-of-characteristics computer program.

Tevepaugh, J. A.↗
NASA NTRS1979

Phase change in liquid face seals. II - Isothermal and adiabatic bounds with real fluids

Analytical studies of phase change effects in parallel and tapered liquid face seals are presented. An isothermal and adiabatic model of low Reynolds number flow are considered by numerical integration of the descriptive equations for a real fluid, and its thermodynamic properties are calculated for each step, using a computer program for the steam tables or fluid thermodynamic properties. It was shown that for low leakage rate the isothermal model is more accurate and for high leakage rates the adiabatic model is more accurate; that both models yield the same conclusions regarding stability; and that the transient of collapse is described by the adiabatic model which predicts a catastrophic collapse and then either failure or explosive return to a larger film thickness value. Finally, it is shown that converging seals may become unstable and the mass leakage rate is reduced significantly below the all liquid value when boiling occurs.

Hughes, W. F.↗
NASA NTRS2008

The 2006 Cape Canaveral Air Force Station Range Reference Atmosphere Model Validation Study and Sensitivity Analysis to the National Aeronautics and Space Administration's Space Shuttle

NASA's Space Shuttle utilizes atmospheric thermodynamic properties to evaluate structural dynamics and vehicle flight performance impacts by the atmosphere during ascent. Statistical characteristics of atmospheric thermodynamic properties at Kennedy Space Center (KSC) used in Space. Shuttle Vehicle assessments are contained in the Cape Canaveral Air Force Station (CCAFS) Range Reference Atmosphere (RRA) Database. Database contains tabulations for monthly and annual means (mu), standard deviations (sigma) and skewness of wind and thermodynamic variables. Wind, Thermodynamic, Humidity and Hydrostatic parameters 1 km resolution interval from 0-30 km 2 km resolution interval 30-70 km Multiple revisions of the CCAFS RRA database have been developed since initial RRA published in 1963. 1971, 1983, 2006 Space Shuttle program utilized 1983 version for use in deriving "hot" and "cold" atmospheres, atmospheric density dispersions for use in vehicle certification analyses and selection of atmospheric thermodynamic profiles for use in vehicle ascent design and certification analyses. During STS-114 launch preparations in July 2005 atmospheric density observations between 50-80 kft exceeded density limits used for aerodynamic ascent heating constraints in vehicle certification analyses. Mission specific analyses were conducted and concluded that the density bias resulted in small changes to heating rates and integrated heat loading on the vehicle. In 2001, the Air Force Combat Climatology Center began developing an updated RRA for CCAFS.

Decker, Ryan↗
DOE OSTI2025

FuelLib (Fuel Library) [SWR-25-26]

FuelLib is a library that utilizes the group contribution method (GCM) for calculating thermodynamic properties of hydro-carbon jet fuels. FuelLib utilizes the tables and functions of the GCM as proposed by Constantinou and Gani (1994) and Constantinou, Gani and O'Connel (1995), with additional physical properties discussed in Govindaraju & Ihme (2016). The code is based on Pavan B. Govindaraju's Matlab implementation of the GCM, and has been expanded to include additional thermodynamic properties and mixture properties. The fuel library contains gas chromatography (GC x GC) data for a variety of fuels ranging from simple single component fuels to complex jet fuels. The GC x GC data for POSF jet fuels comes from Edwards (2020).

Montgomery, David [National Renewable Energy Labor↗
NASA NTRS1973

An equation of state for oxygen and nitrogen

Recent measurements of thermodynamic properties of oxygen and nitrogen have provided data necessary for development of a single equation of state for both fluids. Data are available in summary report and two-part detailed study on thermodynamic properties of oxygen and nitrogen. Same data are used to develop vapor-pressure equation and heat-capacity equation.

Jacobsen, R. T.↗
NASA NTRS1976

Table and Charts of Equilibrium Normal-shock Properties for Pure Hydrogen with Velocities to 70 km/sec. Revised.

Errors found in the original edition are corrected. Refinement was made in procedures for solving the conservation relations for an incident (moving), standing, and reflected normal shock, as well as in computational methods for determining thermochemical-equilibrium hydrogen properties. A six-species hydrogen model replaces the original four-species model, and the heat of formation and spectroscopic constants used in this six-species model are listed in appendix A. In appendix B, comparisons are made between a number of methods for determining equilibrium thermodynamic properties for hydrogen for several values of pressure and temperatures to 50000 K. A comparison is also performed between the present method and a second method for determining thermodynamic properties and flow velocity behind an incident shock into pure hydrogen and behind a reflected shock.

Miller, C. G., III↗
NASA NTRS1975

Thermodynamic and related properties of parahydrogen from the triple point to 300 K at pressures to 1000 bar

Compressibility measurements and thermodynamic properties data for parahydrogen were extended to higher temperatures and pressures. Results of an experimental program are presented in the form of new pressure, volume and temperature data in the temperature range 23 to 300 K at pressures up to 800 bar. Also given are tables of thermodynamic properties on isobars to 1000 bar including density, internal energy, enthalpy, entropy, specific heats at constant volume and constant pressure, velocity of sound, and surface derivatives. The accuracy of the data is discussed and comparisons are made with previous data.

Weber, L. A.↗
NASA NTRS1975

The structure and evolution of Jupiter - The fluid contraction stage

The complete evolution of a contracting star of Jovian mass consisting of a convective adiabatic homogeneous fluid is determined using stellar structure methods, improved model atmosphere calculations, and substantially improved thermodynamic properties for hydrogen and hydrogen-helium fluids. The model atmospheres are calculated in the form of time-averaged vertical temperature structures, including all relevant sources of opacity and a solar energy deposition component, and the thermodynamic properties are modified to obtain better agreement with Monte Carlo results for metallic fluids. The resultant gravitationally contracting evolutionary models are found to have two phases: an early stellar phase similar to a typical low-mass pre-main-sequence body and a later phase constituting an approach to a degenerate-dwarf cooling curve. The first phase is shown to have high luminosities and internal temperatures, while the second gives excellent agreement with the observed radius and luminosity of Jupiter. Analysis indicates that the equation of state and superadiabaticity have the strongest influence on evolution over planetary time scales.

Graboske, H. C., Jr.↗
NASA NTRS1993

An investigation of nonsimultaneous laser-induced fluorescence

An alternative to simultaneous, two-line laser-induced fluorescence for thermodynamic property measurement is presented. This spectroscopic approach is similar to multiple-overheat hot-wire anemometry and is based on laser excitation of different fluorescence transitions for separate, sequential wind tunnel runs. Both fluctuating and mean thermodynamic property measurements seem to be achievable with this method without exciting the transitions during the same laser pulse.

Fletcher, D. G.↗